4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

C11H13N3O3 — CID 104797798

IUPAC4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCc1ccoc1-c1noc(C2COCC2N)n1
InChIInChI=1S/C11H13N3O3/c1-6-2-3-16-9(6)10-13-11(17-14-10)7-4-15-5-8(7)12/h2-3,7-8H,4-5,12H2,1H3
InChIKeyNAVZSSPENDOHNJ-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.08
Rot. Bonds2

About 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine

4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (PubChem CID 104797798) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
PubChem CID104797798
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
SMILESCc1ccoc1-c1noc(C2COCC2N)n1
InChIInChI=1S/C11H13N3O3/c1-6-2-3-16-9(6)10-13-11(17-14-10)7-4-15-5-8(7)12/h2-3,7-8H,4-5,12H2,1H3
InChIKeyNAVZSSPENDOHNJ-UHFFFAOYSA-N
XLogP1.08
TPSA87.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The IUPAC name of 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine (CID 104797798) is 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine.
What is the SMILES notation for 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The canonical SMILES for 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is Cc1ccoc1-c1noc(C2COCC2N)n1.
What is the InChIKey of 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
The InChIKey is NAVZSSPENDOHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-6-2-3-16-9(6)10-13-11(17-14-10)7-4-15-5-8(7)12/h2-3,7-8H,4-5,12H2,1H3.
What are the key properties of 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine?
4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine has a molecular weight of 235.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine is sourced from PubChem (CID 104797798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).